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1-Naphthalenamine,1,2,3,4-tetrahydro-, hydrochloride (1:1)

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  • Name 1-Naphthalenamine,1,2,3,4-tetrahydro-, hydrochloride (1:1)
  • EINECSN/A
  • CAS No. 49800-23-9
  • Density0.974 g/mL at 25 °C(lit.)
  • PSA26.02000
  • LogP3.52500
  • SolubilityN/A
  • Melting Point185-187 °C(lit.)
  • FormulaC10H14ClN
  • Boiling Point249.6 °C at 760 mmHg
  • Molecular Weight183.681
  • Flash Point110.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-37/39
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 49800-23-9 (1,2,3,4-TETRAHYDRO-1-NAPHTHYLAMINE HYDROCHLORIDE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi

1-Naphthalenamine,1,2,3,4-tetrahydro-, hydrochloride (1:1) Specification

The 1-Naphthalenamine,1,2,3,4-tetrahydro-, hydrochloride (1:1), with the CAS registry number 49800-23-9, has the systematic name of 1,2,3,4-tetrahydronaphthalen-1-amine. It belongs to the following product categories: Amine Salts; Nitrogen Compounds; Organic Building Blocks. And the molecular formula of the chemical is C10H14ClN.

The characteristics of 1-Naphthalenamine,1,2,3,4-tetrahydro-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.89; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.21; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Flash Point: 110.8 °C; (14)Enthalpy of Vaporization: 48.68 kJ/mol; (15)Boiling Point: 249.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0228 mmHg at 25°C.

Uses of 1-Naphthalenamine,1,2,3,4-tetrahydro-, hydrochloride (1:1): It can react with 4,6-dichloro-pyrimidin-5-ylamine to produce 5-Amino-4-chloro-6-(1,2,3,4-tetrahydro-1-naphthylamino)pyrimidine. And the yield is about 20%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].c1ccc2c(c1)CCCC2[NH3+]
(2)InChI: InChI=1/C10H13N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H
(3)InChIKey: DETWFIUAXSWCIK-UHFFFAOYAP

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